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Compile Data Set for Download or QSAR

Found 1081 hits of ic50 data for polymerid = 50001156,50001300,50006504   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM?mit=repeat
Kd
nM
EC50/IC50
nM?mit=repeat
koff
s-1
kon
M-1s-1
pHTemp
°C
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50063229
PNG
(CHEMBL161292 | N-(2,6-Diisopropyl-phenyl)-2-phenyl...)
Show SMILES CCCCCCCCCCOC(=O)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C31H45NO3/c1-6-7-8-9-10-11-12-16-22-35-31(34)28(25-18-14-13-15-19-25)30(33)32-29-26(23(2)3)20-17-21-27(29)24(4)5/h13-15,17-21,23-24,28H,6-12,16,22H2,1-5H3,(H,32,33)
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n/an/a 13n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed rats


J Med Chem 41: 682-90 (1998)


Article DOI: 10.1021/jm970560h
BindingDB Entry DOI: 10.7270/Q28051R8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051474
PNG
(CHEMBL78038 | N-(4,6-Dimethoxy-pyrimidin-5-yl)-2-(...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)ncnc1OC)c1ccccc1
Show InChI InChI=1S/C27H39N7O3/c1-4-5-6-7-8-9-10-11-12-16-19-34-32-24(31-33-34)22(21-17-14-13-15-18-21)25(35)30-23-26(36-2)28-20-29-27(23)37-3/h13-15,17-18,20,22H,4-12,16,19H2,1-3H3,(H,30,35)
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n/an/a 13n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50063235
PNG
(CHEMBL161798 | N-(2,6-Diisopropyl-phenyl)-2-phenyl...)
Show SMILES CCCCCCCCCCC(C)OC(=O)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C33H49NO3/c1-7-8-9-10-11-12-13-15-19-26(6)37-33(36)30(27-20-16-14-17-21-27)32(35)34-31-28(24(2)3)22-18-23-29(31)25(4)5/h14,16-18,20-26,30H,7-13,15,19H2,1-6H3,(H,34,35)
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n/an/a 13n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed rats


J Med Chem 41: 682-90 (1998)


Article DOI: 10.1021/jm970560h
BindingDB Entry DOI: 10.7270/Q28051R8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50285871
PNG
(12-hydroxy-4,6a,12b-trimethyl-3-methylcarbonyloxy-...)
Show SMILES CCCC(N)C(=O)O[C@H]1CC2C(C)(COC(C)=O)[C@H](CC[C@]2(C)C2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C34H44N2O10/c1-7-9-21(35)30(40)45-26-15-24-32(4,12-11-25(43-19(3)38)33(24,5)17-42-18(2)37)29-28(39)27-23(46-34(26,29)6)14-22(44-31(27)41)20-10-8-13-36-16-20/h8,10,13-14,16,21,24-26,28-29,39H,7,9,11-12,15,17,35H2,1-6H3/t21?,24?,25-,26-,28-,29?,32-,33?,34+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl-CoA:cholesterol O-acyltransferase (ACAT)


Bioorg Med Chem Lett 5: 2683-2688 (1995)


Article DOI: 10.1016/0960-894X(95)00451-X
BindingDB Entry DOI: 10.7270/Q2KK9BR5
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50063232
PNG
(2-Phenyl-N-(2,4,6-trimethoxy-phenyl)-malonamic aci...)
Show SMILES CCCCCCCCCCCCOC(=O)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C30H43NO6/c1-5-6-7-8-9-10-11-12-13-17-20-37-30(33)27(23-18-15-14-16-19-23)29(32)31-28-25(35-3)21-24(34-2)22-26(28)36-4/h14-16,18-19,21-22,27H,5-13,17,20H2,1-4H3,(H,31,32)
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n/an/a 13n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed rats


J Med Chem 41: 682-90 (1998)


Article DOI: 10.1021/jm970560h
BindingDB Entry DOI: 10.7270/Q28051R8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50175767
PNG
(1-(3-amino-2,6-diisopropylphenyl)-3-(1-butyl-4-(3-...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OC)c2)c(NC(=O)Nc2c(ccc(N)c2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C32H39N5O3/c1-7-8-17-37-30-24(13-10-16-34-30)27(21-11-9-12-22(18-21)40-6)29(31(37)38)36-32(39)35-28-23(19(2)3)14-15-25(33)26(28)20(4)5/h9-16,18-20H,7-8,17,33H2,1-6H3,(H2,35,36,39)
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n/an/a 14n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages


Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051460
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-(2,4,6-t...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C30H43N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-35-33-29(32-34-35)27(23-18-15-14-16-19-23)30(36)31-28-25(38-3)21-24(37-2)22-26(28)39-4/h14-16,18-19,21-22,27H,5-13,17,20H2,1-4H3,(H,31,36)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in liver microsomes isolated from cholestero...


Bioorg Med Chem Lett 5: 295-300 (1995)


BindingDB Entry DOI: 10.7270/Q29Z94WS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50038905
PNG
(1-[4-(2-Chloro-phenyl)-6-isopropyl-quinolin-3-yl]-...)
Show SMILES CC(C)c1ccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2c1
Show InChI InChI=1S/C25H20ClF2N3O/c1-14(2)15-7-9-21-18(11-15)24(17-5-3-4-6-19(17)26)23(13-29-21)31-25(32)30-22-10-8-16(27)12-20(22)28/h3-14H,1-2H3,(H2,30,31,32)
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n/an/a 14n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes


J Med Chem 37: 2079-84 (1994)


Article DOI: 10.1021/jm00039a020
BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50280416
PNG
(2-[3-(1-Methyl-1H-imidazol-2-ylsulfanyl)-propylsul...)
Show SMILES Cn1ccnc1SCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H22N4S2/c1-26-14-13-23-22(26)28-16-8-15-27-21-24-19(17-9-4-2-5-10-17)20(25-21)18-11-6-3-7-12-18/h2-7,9-14H,8,15-16H2,1H3,(H,24,25)
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TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of cholesterol O-acyl transferase (ACAT) from rat liver


Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50038919
PNG
(1-[4-(2-Chloro-phenyl)-6-ethyl-quinolin-3-yl]-3-(2...)
Show SMILES CCc1ccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2c1
Show InChI InChI=1S/C24H18ClF2N3O/c1-2-14-7-9-20-17(11-14)23(16-5-3-4-6-18(16)25)22(13-28-20)30-24(31)29-21-10-8-15(26)12-19(21)27/h3-13H,2H2,1H3,(H2,29,30,31)
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Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes


J Med Chem 37: 2079-84 (1994)


Article DOI: 10.1021/jm00039a020
BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50053404
PNG
(CHEMBL340148 | N-(2,6-Diisopropyl-phenyl)-2-(5-dod...)
Show SMILES CCCCCCCCCCCCc1nnc(o1)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C34H49N3O2/c1-6-7-8-9-10-11-12-13-14-18-24-30-36-37-34(39-30)31(27-20-16-15-17-21-27)33(38)35-32-28(25(2)3)22-19-23-29(32)26(4)5/h15-17,19-23,25-26,31H,6-14,18,24H2,1-5H3,(H,35,38)
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n/an/a 14n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver microsomes


J Med Chem 39: 3908-19 (1996)


Article DOI: 10.1021/jm9604033
BindingDB Entry DOI: 10.7270/Q2MG7NMM
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051897
PNG
(2-(5,5-Diethyl-[1,3]dioxan-2-yl)-4,5-diphenyl-1H-i...)
Show SMILES CCC1(CC)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H26N2O2/c1-3-23(4-2)15-26-22(27-16-23)21-24-19(17-11-7-5-8-12-17)20(25-21)18-13-9-6-10-14-18/h5-14,22H,3-4,15-16H2,1-2H3,(H,24,25)
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n/an/a 15n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver.


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051452
PNG
(CHEMBL80270 | N-(2,6-Diisopropyl-phenyl)-2-(5-dode...)
Show SMILES CCCCCCCCCCCCc1nnn(n1)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C33H49N5O/c1-6-7-8-9-10-11-12-13-14-18-24-30-35-37-38(36-30)32(27-20-16-15-17-21-27)33(39)34-31-28(25(2)3)22-19-23-29(31)26(4)5/h15-17,19-23,25-26,32H,6-14,18,24H2,1-5H3,(H,34,39)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50038915
PNG
(1-[4-(2-Chloro-phenyl)-6,8-dimethyl-quinolin-3-yl]...)
Show SMILES Cc1cc(C)c2ncc(NC(=O)Nc3c(F)cc(F)cc3F)c(-c3ccccc3Cl)c2c1
Show InChI InChI=1S/C24H17ClF3N3O/c1-12-7-13(2)22-16(8-12)21(15-5-3-4-6-17(15)25)20(11-29-22)30-24(32)31-23-18(27)9-14(26)10-19(23)28/h3-11H,1-2H3,(H2,30,31,32)
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Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes


J Med Chem 37: 2079-84 (1994)


Article DOI: 10.1021/jm00039a020
BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50053395
PNG
(2-(3-Dodecyl-isoxazol-5-yl)-2-phenyl-N-(2,4,6-trim...)
Show SMILES CCCCCCCCCCCCc1cc(on1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C32H44N2O5/c1-5-6-7-8-9-10-11-12-13-17-20-25-21-27(39-34-25)30(24-18-15-14-16-19-24)32(35)33-31-28(37-3)22-26(36-2)23-29(31)38-4/h14-16,18-19,21-23,30H,5-13,17,20H2,1-4H3,(H,33,35)
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n/an/a 15n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver microsomes


J Med Chem 39: 3908-19 (1996)


Article DOI: 10.1021/jm9604033
BindingDB Entry DOI: 10.7270/Q2MG7NMM
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50287512
PNG
(3-(2,6-Diisopropyl-phenyl)-1-phenyl-1-{2-[8-(tetra...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)N(c1nnn(CCCCCCCCOC2CCCCO2)n1)c1ccccc1
Show InChI InChI=1S/C33H48N6O3/c1-25(2)28-19-16-20-29(26(3)4)31(28)34-33(40)39(27-17-10-9-11-18-27)32-35-37-38(36-32)22-13-7-5-6-8-14-23-41-30-21-12-15-24-42-30/h9-11,16-20,25-26,30H,5-8,12-15,21-24H2,1-4H3,(H,34,40)
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Liver Acyl coenzyme A:cholesterol acyltransferase inhibitory activity was determined in vitro using [1-14C]-oleolyl-CoA and microsomes isolated from ...


Bioorg Med Chem Lett 6: 1753-1758 (1996)


Article DOI: 10.1016/0960-894X(96)00310-1
BindingDB Entry DOI: 10.7270/Q2VD6ZF6
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50050362
PNG
(2,2-Dimethyl-dodecanoic acid (7-methoxy-4-oxo-chro...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)ccc2C(=O)CCOc12
Show InChI InChI=1S/C24H37NO4/c1-5-6-7-8-9-10-11-12-16-24(2,3)23(27)25-21-20(28-4)14-13-18-19(26)15-17-29-22(18)21/h13-14H,5-12,15-17H2,1-4H3,(H,25,27)
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n/an/a 16n/an/an/an/an/an/a



Institute for Bio-Medical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Acyl coenzyme A:cholesterol acyltransferase 1 obtained from rat liver microsomes


J Med Chem 39: 1262-70 (1996)


Article DOI: 10.1021/jm950828+
BindingDB Entry DOI: 10.7270/Q24T6HGW
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50037634
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCS(=O)(=O)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H40F2N4O3S/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-44(42,43)33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39)
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n/an/a 16n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes


J Med Chem 37: 3511-22 (1994)


Article DOI: 10.1021/jm00047a009
BindingDB Entry DOI: 10.7270/Q2MK6BXK
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50063221
PNG
(CHEMBL161295 | N-(2,6-Diisopropyl-phenyl)-2-phenyl...)
Show SMILES CCCCCCCCCCCCCCOC(=O)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C35H53NO3/c1-6-7-8-9-10-11-12-13-14-15-16-20-26-39-35(38)32(29-22-18-17-19-23-29)34(37)36-33-30(27(2)3)24-21-25-31(33)28(4)5/h17-19,21-25,27-28,32H,6-16,20,26H2,1-5H3,(H,36,37)
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n/an/a 16n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed rats


J Med Chem 41: 682-90 (1998)


Article DOI: 10.1021/jm970560h
BindingDB Entry DOI: 10.7270/Q28051R8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50037625
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1c(F)cc(F)cc1F
Show InChI InChI=1S/C34H39F3N4OS/c1-2-3-4-5-13-20-41(34(42)40-32-28(36)23-27(35)24-29(32)37)21-14-8-15-22-43-33-38-30(25-16-9-6-10-17-25)31(39-33)26-18-11-7-12-19-26/h6-7,9-12,16-19,23-24H,2-5,8,13-15,20-22H2,1H3,(H,38,39)(H,40,42)
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n/an/a 16n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes


J Med Chem 37: 3511-22 (1994)


Article DOI: 10.1021/jm00047a009
BindingDB Entry DOI: 10.7270/Q2MK6BXK
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50038912
PNG
(1-[4-(2-Chloro-phenyl)-6-methyl-quinolin-3-yl]-3-(...)
Show SMILES Cc1ccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2c1
Show InChI InChI=1S/C23H16ClF2N3O/c1-13-6-8-19-16(10-13)22(15-4-2-3-5-17(15)24)21(12-27-19)29-23(30)28-20-9-7-14(25)11-18(20)26/h2-12H,1H3,(H2,28,29,30)
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n/an/a 16.8n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes


J Med Chem 37: 2079-84 (1994)


Article DOI: 10.1021/jm00039a020
BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50053394
PNG
(2-(5-Dodecyl-[1,3,4]oxadiazol-2-yl)-2-phenyl-N-(2,...)
Show SMILES CCCCCCCCCCCCc1nnc(o1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C31H43N3O5/c1-5-6-7-8-9-10-11-12-13-17-20-27-33-34-31(39-27)28(23-18-15-14-16-19-23)30(35)32-29-25(37-3)21-24(36-2)22-26(29)38-4/h14-16,18-19,21-22,28H,5-13,17,20H2,1-4H3,(H,32,35)
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n/an/a 17n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver microsomes


J Med Chem 39: 3908-19 (1996)


Article DOI: 10.1021/jm9604033
BindingDB Entry DOI: 10.7270/Q2MG7NMM
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50038526
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(1-phenyl-cyclopentyl...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccccc1
Show InChI InChI=1S/C25H34N2O/c1-18(2)21-13-10-14-22(19(3)4)23(21)27-24(28)26-17-25(15-8-9-16-25)20-11-6-5-7-12-20/h5-7,10-14,18-19H,8-9,15-17H2,1-4H3,(H2,26,27,28)
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n/an/a 17n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of rat intestinal acyl coenzyme A:cholesterol acyltransferase using [1-14C]oleolyl-CoA


J Med Chem 37: 1810-22 (1994)


Article DOI: 10.1021/jm00038a010
BindingDB Entry DOI: 10.7270/Q2CR5V0V
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50298281
PNG
(CHEMBL1091036 | N-(4-Amino-2,6-diisopropylphenyl)-...)
Show SMILES COc1cccc(c1)C1(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)CCN(CC1)c1ccccc1OCCCO
Show InChI InChI=1S/C35H48N4O4/c1-24(2)29-21-27(36)22-30(25(3)4)33(29)38-34(41)37-23-35(26-10-8-11-28(20-26)42-5)14-16-39(17-15-35)31-12-6-7-13-32(31)43-19-9-18-40/h6-8,10-13,20-22,24-25,40H,9,14-19,23,36H2,1-5H3,(H2,37,38,41)
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n/an/a 18n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co Ltd

Curated by ChEMBL


Assay Description
Inhibition of ACAT in rat macrophages assessed as incorporation of extracellular [3H]-oleic acid-BSA complex into the intracellular cholesteryl ester...


Bioorg Med Chem 17: 4636-46 (2009)


Article DOI: 10.1016/j.bmc.2009.04.059
BindingDB Entry DOI: 10.7270/Q24M94KR
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50040469
PNG
(2,3-Diphenyl-6-thia-1,4-diaza-bicyclo[3.1.0]hexa-2...)
Show SMILES S1c2nc(c(-c3ccccc3)n12)-c1ccccc1
Show InChI InChI=1S/C15H10N2S/c1-3-7-11(8-4-1)13-14(17-15(16-13)18-17)12-9-5-2-6-10-12/h1-10H
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n/an/a 18n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the Acyl coenzyme A:cholesterol acyltransferase inhibition using microsomes isolated from the livers of cholesterol fed ra...


J Med Chem 37: 560-2 (1994)


Article DOI: 10.1021/jm00031a002
BindingDB Entry DOI: 10.7270/Q2542MN8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50298281
PNG
(CHEMBL1091036 | N-(4-Amino-2,6-diisopropylphenyl)-...)
Show SMILES COc1cccc(c1)C1(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)CCN(CC1)c1ccccc1OCCCO
Show InChI InChI=1S/C35H48N4O4/c1-24(2)29-21-27(36)22-30(25(3)4)33(29)38-34(41)37-23-35(26-10-8-11-28(20-26)42-5)14-16-39(17-15-35)31-12-6-7-13-32(31)43-19-9-18-40/h6-8,10-13,20-22,24-25,40H,9,14-19,23,36H2,1-5H3,(H2,37,38,41)
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n/an/a 18n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat macrophages ACAT


J Med Chem 53: 3284-95 (2010)


Article DOI: 10.1021/jm901909p
BindingDB Entry DOI: 10.7270/Q2639PWV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50285872
PNG
(Acetic acid (3S,4S,6S,6aS,12R,12bS)-3-acetoxy-12-h...)
Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)C(C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)C23)-c2cccnc2)C1(C)COS(C)(=O)=O
Show InChI InChI=1S/C30H37NO11S/c1-16(32)39-22-9-10-28(3)21(29(22,4)15-38-43(6,36)37)13-23(40-17(2)33)30(5)26(28)25(34)24-20(42-30)12-19(41-27(24)35)18-8-7-11-31-14-18/h7-8,11-12,14,21-23,25-26,34H,9-10,13,15H2,1-6H3/t21?,22-,23-,25-,26?,28-,29?,30+/m0/s1
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl-CoA:cholesterol O-acyltransferase (ACAT)


Bioorg Med Chem Lett 5: 2683-2688 (1995)


Article DOI: 10.1016/0960-894X(95)00451-X
BindingDB Entry DOI: 10.7270/Q2KK9BR5
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50053399
PNG
(CHEMBL339119 | N-(2,6-Diisopropyl-phenyl)-2-(3-dod...)
Show SMILES CCCCCCCCCCCCc1cc(on1)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C35H50N2O2/c1-6-7-8-9-10-11-12-13-14-18-22-29-25-32(39-37-29)33(28-20-16-15-17-21-28)35(38)36-34-30(26(2)3)23-19-24-31(34)27(4)5/h15-17,19-21,23-27,33H,6-14,18,22H2,1-5H3,(H,36,38)
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n/an/a 19n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver microsomes


J Med Chem 39: 3908-19 (1996)


Article DOI: 10.1021/jm9604033
BindingDB Entry DOI: 10.7270/Q2MG7NMM
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50147178
PNG
((Z)-Octadec-9-enoic acid phenylamide | CHEMBL15611...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C24H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h9-10,16-18,20-21H,2-8,11-15,19,22H2,1H3,(H,25,26)/b10-9-
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n/an/a 20n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal Acyl coenzyme A:cholesterol acyltransferase


Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50285443
PNG
(Benzooxazol-2-yl-[5-(4,5-diphenyl-1H-imidazol-2-yl...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1nc2ccccc2o1
Show InChI InChI=1S/C34H40N4OS/c1-2-3-4-5-15-24-38(34-35-29-22-13-14-23-30(29)39-34)25-16-8-17-26-40-33-36-31(27-18-9-6-10-19-27)32(37-33)28-20-11-7-12-21-28/h6-7,9-14,18-23H,2-5,8,15-17,24-26H2,1H3,(H,36,37)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 177-180 (1995)


Article DOI: 10.1016/0960-894X(95)00003-C
BindingDB Entry DOI: 10.7270/Q2PG1RQJ
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50063227
PNG
(2-Phenyl-N-(2,4,6-trimethoxy-phenyl)-malonamic aci...)
Show SMILES CCCCCCCCCCCCC(C)(C)OC(=O)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C33H49NO6/c1-7-8-9-10-11-12-13-14-15-19-22-33(2,3)40-32(36)29(25-20-17-16-18-21-25)31(35)34-30-27(38-5)23-26(37-4)24-28(30)39-6/h16-18,20-21,23-24,29H,7-15,19,22H2,1-6H3,(H,34,35)
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n/an/a 20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed rats


J Med Chem 41: 682-90 (1998)


Article DOI: 10.1021/jm970560h
BindingDB Entry DOI: 10.7270/Q28051R8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50033949
PNG
(1-[5-(4,5-Dicyclohexyl-1H-imidazol-2-ylsulfanyl)-p...)
Show SMILES CCCCCCCN(CCCCCSc1nc(C2CCCCC2)c([nH]1)C1CCCCC1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H52F2N4OS/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h20-21,25-27H,2-19,22-24H2,1H3,(H,37,41)(H,38,39)
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n/an/a 20n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.


J Med Chem 38: 1067-83 (1995)


Article DOI: 10.1021/jm00007a004
BindingDB Entry DOI: 10.7270/Q28S4P0T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50037637
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES CCCCCCCCNC(=O)N(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1c(F)cc(F)cc1F
Show InChI InChI=1S/C35H41F3N4OS/c1-2-3-4-5-6-14-21-39-35(43)42(33-29(37)24-28(36)25-30(33)38)22-15-9-16-23-44-34-40-31(26-17-10-7-11-18-26)32(41-34)27-19-12-8-13-20-27/h7-8,10-13,17-20,24-25H,2-6,9,14-16,21-23H2,1H3,(H,39,43)(H,40,41)
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n/an/a 20n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes


J Med Chem 37: 3511-22 (1994)


Article DOI: 10.1021/jm00047a009
BindingDB Entry DOI: 10.7270/Q2MK6BXK
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50037665
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)NC(C)C
Show InChI InChI=1S/C31H44N4OS/c1-4-5-6-7-15-22-35(31(36)32-25(2)3)23-16-10-17-24-37-30-33-28(26-18-11-8-12-19-26)29(34-30)27-20-13-9-14-21-27/h8-9,11-14,18-21,25H,4-7,10,15-17,22-24H2,1-3H3,(H,32,36)(H,33,34)
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n/an/a 20n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes


J Med Chem 37: 3511-22 (1994)


Article DOI: 10.1021/jm00047a009
BindingDB Entry DOI: 10.7270/Q2MK6BXK
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50033950
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diisopropyl-1H-i...)
Show SMILES CCCCCCCN(CCCCCSc1nc(C(C)C)c([nH]1)C(C)C)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C28H44F2N4OS/c1-6-7-8-9-11-16-34(28(35)31-24-15-14-22(29)19-23(24)30)17-12-10-13-18-36-27-32-25(20(2)3)26(33-27)21(4)5/h14-15,19-21H,6-13,16-18H2,1-5H3,(H,31,35)(H,32,33)
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n/an/a 20n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.


J Med Chem 38: 1067-83 (1995)


Article DOI: 10.1021/jm00007a004
BindingDB Entry DOI: 10.7270/Q28S4P0T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50037636
PNG
(CHEMBL119759 | [5-(4,5-Diphenyl-1H-imidazol-2-ylsu...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C34H41N3O2S/c1-2-3-4-5-16-25-37(34(38)39-30-23-14-8-15-24-30)26-17-9-18-27-40-33-35-31(28-19-10-6-11-20-28)32(36-33)29-21-12-7-13-22-29/h6-8,10-15,19-24H,2-5,9,16-18,25-27H2,1H3,(H,35,36)
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n/an/a 20n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes


J Med Chem 37: 3511-22 (1994)


Article DOI: 10.1021/jm00047a009
BindingDB Entry DOI: 10.7270/Q2MK6BXK
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50175765
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-(1-butyl-4-(3-...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OCCCO)c2)c(NC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C34H43N5O4/c1-6-7-15-39-32-26(13-9-14-36-32)29(23-11-8-12-25(18-23)43-17-10-16-40)31(33(39)41)38-34(42)37-30-27(21(2)3)19-24(35)20-28(30)22(4)5/h8-9,11-14,18-22,40H,6-7,10,15-17,35H2,1-5H3,(H2,37,38,42)
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n/an/a 21n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages


Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50063230
PNG
(CHEMBL159491 | N-(2,6-Diisopropyl-phenyl)-2,2-dime...)
Show SMILES CCCCCCCCCCCCC(C)OC(=O)C(C)(C)C(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C31H53NO3/c1-9-10-11-12-13-14-15-16-17-18-20-25(6)35-30(34)31(7,8)29(33)32-28-26(23(2)3)21-19-22-27(28)24(4)5/h19,21-25H,9-18,20H2,1-8H3,(H,32,33)
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n/an/a 21n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed rats


J Med Chem 41: 682-90 (1998)


Article DOI: 10.1021/jm970560h
BindingDB Entry DOI: 10.7270/Q28051R8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051454
PNG
(2-(5-Dodecyl-tetrazol-2-yl)-2-phenyl-N-(2,4,6-trim...)
Show SMILES CCCCCCCCCCCCc1nnn(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C30H43N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-27-32-34-35(33-27)29(23-18-15-14-16-19-23)30(36)31-28-25(38-3)21-24(37-2)22-26(28)39-4/h14-16,18-19,21-22,29H,5-13,17,20H2,1-4H3,(H,31,36)
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n/an/a 21n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50038901
PNG
(1-[6-Chloro-4-(2-chloro-phenyl)-quinolin-3-yl]-3-(...)
Show SMILES Fc1ccc(NC(=O)Nc2cnc3ccc(Cl)cc3c2-c2ccccc2Cl)c(F)c1
Show InChI InChI=1S/C22H13Cl2F2N3O/c23-12-5-7-18-15(9-12)21(14-3-1-2-4-16(14)24)20(11-27-18)29-22(30)28-19-8-6-13(25)10-17(19)26/h1-11H,(H2,28,29,30)
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n/an/a 21.2n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes


J Med Chem 37: 2079-84 (1994)


Article DOI: 10.1021/jm00039a020
BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50038907
PNG
(1-(2,4-Difluoro-phenyl)-3-(6-methyl-4-o-tolyl-quin...)
Show SMILES Cc1ccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3C)c2c1
Show InChI InChI=1S/C24H19F2N3O/c1-14-7-9-20-18(11-14)23(17-6-4-3-5-15(17)2)22(13-27-20)29-24(30)28-21-10-8-16(25)12-19(21)26/h3-13H,1-2H3,(H2,28,29,30)
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n/an/a 21.7n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes


J Med Chem 37: 2079-84 (1994)


Article DOI: 10.1021/jm00039a020
BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50053398
PNG
(2-(5-Dodecyl-isoxazol-3-yl)-2-phenyl-N-(2,4,6-trim...)
Show SMILES CCCCCCCCCCCCc1cc(no1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C32H44N2O5/c1-5-6-7-8-9-10-11-12-13-17-20-25-21-27(34-39-25)30(24-18-15-14-16-19-24)32(35)33-31-28(37-3)22-26(36-2)23-29(31)38-4/h14-16,18-19,21-23,30H,5-13,17,20H2,1-4H3,(H,33,35)
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n/an/a 22n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver microsomes


J Med Chem 39: 3908-19 (1996)


Article DOI: 10.1021/jm9604033
BindingDB Entry DOI: 10.7270/Q2MG7NMM
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50053406
PNG
(2-(4-Dodecyl-[1,2,3]triazol-1-yl)-2-phenyl-N-(2,4,...)
Show SMILES CCCCCCCCCCCCc1cn(nn1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C31H44N4O4/c1-5-6-7-8-9-10-11-12-13-17-20-25-23-35(34-33-25)30(24-18-15-14-16-19-24)31(36)32-29-27(38-3)21-26(37-2)22-28(29)39-4/h14-16,18-19,21-23,30H,5-13,17,20H2,1-4H3,(H,32,36)
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n/an/a 22n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver microsomes


J Med Chem 39: 3908-19 (1996)


Article DOI: 10.1021/jm9604033
BindingDB Entry DOI: 10.7270/Q2MG7NMM
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50041289
PNG
((S)-2-Hexylsulfanyl-decanoic acid (6-methyl-2,4-bi...)
Show SMILES CCCCCCCC[C@H](SCCCCCC)C(=O)Nc1c(SC)cc(C)nc1SC
Show InChI InChI=1S/C24H42N2OS3/c1-6-8-10-12-13-14-16-20(30-17-15-11-9-7-2)23(27)26-22-21(28-4)18-19(3)25-24(22)29-5/h18,20H,6-17H2,1-5H3,(H,26,27)/t20-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro potency was determined using Acyl coenzyme A:cholesterol acyltransferase in liver microsomes from rats


J Med Chem 37: 1252-5 (1994)


Article DOI: 10.1021/jm00035a002
BindingDB Entry DOI: 10.7270/Q25X280J
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450396
PNG
(CHEMBL102912)
Show SMILES CCCCCCCC[C@@H](SCCCCCC)C(=O)Nc1c(SC)cc[n+](C)c1SC
Show InChI InChI=1S/C24H42N2OS3/c1-6-8-10-12-13-14-16-21(30-19-15-11-9-7-2)23(27)25-22-20(28-4)17-18-26(3)24(22)29-5/h17-18,21H,6-16,19H2,1-5H3/p+1/t21-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in liver microsomes isolated from cholestero...


Bioorg Med Chem Lett 5: 295-300 (1995)


BindingDB Entry DOI: 10.7270/Q29Z94WS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50063224
PNG
(CHEMBL159414 | N-(2,6-Diisopropyl-phenyl)-2-phenyl...)
Show SMILES CCCCCCCCCCCCC(C)OC(=O)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C35H53NO3/c1-7-8-9-10-11-12-13-14-15-17-21-28(6)39-35(38)32(29-22-18-16-19-23-29)34(37)36-33-30(26(2)3)24-20-25-31(33)27(4)5/h16,18-20,22-28,32H,7-15,17,21H2,1-6H3,(H,36,37)
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n/an/a 22n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed rats


J Med Chem 41: 682-90 (1998)


Article DOI: 10.1021/jm970560h
BindingDB Entry DOI: 10.7270/Q28051R8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051460
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-(2,4,6-t...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C30H43N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-35-33-29(32-34-35)27(23-18-15-14-16-19-23)30(36)31-28-25(38-3)21-24(37-2)22-26(28)39-4/h14-16,18-19,21-22,27H,5-13,17,20H2,1-4H3,(H,31,36)
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n/an/a 23n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051460
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-(2,4,6-t...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C30H43N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-35-33-29(32-34-35)27(23-18-15-14-16-19-23)30(36)31-28-25(38-3)21-24(37-2)22-26(28)39-4/h14-16,18-19,21-22,27H,5-13,17,20H2,1-4H3,(H,31,36)
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n/an/a 23n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50037642
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C34H42N4OS/c1-2-3-4-5-16-25-38(34(39)35-30-23-14-8-15-24-30)26-17-9-18-27-40-33-36-31(28-19-10-6-11-20-28)32(37-33)29-21-12-7-13-22-29/h6-8,10-15,19-24H,2-5,9,16-18,25-27H2,1H3,(H,35,39)(H,36,37)
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n/an/a 23n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes


J Med Chem 37: 3511-22 (1994)


Article DOI: 10.1021/jm00047a009
BindingDB Entry DOI: 10.7270/Q2MK6BXK
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051460
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-(2,4,6-t...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C30H43N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-35-33-29(32-34-35)27(23-18-15-14-16-19-23)30(36)31-28-25(38-3)21-24(37-2)22-26(28)39-4/h14-16,18-19,21-22,27H,5-13,17,20H2,1-4H3,(H,31,36)
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n/an/a 24n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in liver microsomes isolated from cholestero...


Bioorg Med Chem Lett 5: 295-300 (1995)


BindingDB Entry DOI: 10.7270/Q29Z94WS
More data for this
Ligand-Target Pair
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